SCHEMBL28242166

SCHEMBL28242166

Fc1cc(-c2c[c]ncn2)ccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 8/20 0.47
▸ CYP11B1 P15538 5/20 0.47
▸ KIF11 P52732 10/20 0.45
▸ FAAH O00519 1/20 0.43
▸ KMO O15229 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28242134 0.78 FAAH (0.46) FAAHKMO
SCHEMBL16538344 0.76 KIF11 (0.42) KIF11FAAH
SCHEMBL28242165 0.75 CYP11B2 (0.52) CYP11B2CYP11B1KIF11FAAHKMO
SCHEMBL6184163 0.74 KMO (0.52) FAAHKMO
SCHEMBL16635221 0.74 CYP11B2 (0.58) CYP11B2CYP11B1KIF11FAAHKMO
SCHEMBL1202858 0.73 RAB9A (0.36) FAAH
SCHEMBL8303859 0.72 KDM1A (0.37) KMO
SCHEMBL28074571 0.72 TRPV4 (0.42) —
SCHEMBL21116892 0.72 KIF11 (0.76) CYP11B2CYP11B1KIF11
SCHEMBL16635456 0.71 FAAH (0.49) CYP11B2CYP11B1KIF11FAAHKMO

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105612153-B Substituted heterocyclic sulfonamide compound as TRPA1 conditioning agents 豪夫迈·罗氏有限公司 2018-09-14 — — CN disclosed
Send feedback